Geometry & MOs

Info

ID:	163462
PubChem CID:	57992916
Reduced:	NSO3C8H19 (1)
Stoich.:	ABC3D8E19 (1)
Weight, g/mol:	563.235554
ΔH_f, kcal/mol:	-145.53
Dipole, Da:	5.18
IP(EA), eV:	-9.23(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-[2-[(4-morpholin-4-ylphenyl)methyl]-1,2,5-oxadiazepan-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)CCN(C)CCO

DOS

IR

Vibrations